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BDBM50050776 (S)-3-{2-[(S)-4-(4-Carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-3-phenyl-propionic acid::3-{2-[4-(4-Carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-3-phenyl-propionic acid::CHEMBL17258

SMILES: C[C@]1(NC(=O)N(CC(=O)N[C@@H](CC(O)=O)c2ccccc2)C1=O)c1ccc(cc1)C(N)=N

InChI Key: InChIKey=BQTUWUXJPAYSPB-AOMKIAJQSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050776   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50050776
PNG
((S)-3-{2-[(S)-4-(4-Carbamimidoyl-phenyl)-4-methyl-...)
Show SMILES C[C@]1(NC(=O)N(CC(=O)N[C@@H](CC(O)=O)c2ccccc2)C1=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H23N5O5/c1-22(15-9-7-14(8-10-15)19(23)24)20(31)27(21(32)26-22)12-17(28)25-16(11-18(29)30)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,23,24)(H,25,28)(H,26,32)(H,29,30)/t16-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-fibrinogen binding to isolated GPIIb/IIIa


J Med Chem 39: 2118-22 (1996)


Article DOI: 10.1021/jm960210f
BindingDB Entry DOI: 10.7270/Q2KW5F4X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50050776
PNG
((S)-3-{2-[(S)-4-(4-Carbamimidoyl-phenyl)-4-methyl-...)
Show SMILES C[C@]1(NC(=O)N(CC(=O)N[C@@H](CC(O)=O)c2ccccc2)C1=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H23N5O5/c1-22(15-9-7-14(8-10-15)19(23)24)20(31)27(21(32)26-22)12-17(28)25-16(11-18(29)30)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,23,24)(H,25,28)(H,26,32)(H,29,30)/t16-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-fibrinogen binding to ADP-activated human gel filtered platelets


J Med Chem 39: 2118-22 (1996)


Article DOI: 10.1021/jm960210f
BindingDB Entry DOI: 10.7270/Q2KW5F4X
More data for this
Ligand-Target Pair